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CheS-Mapper updated

 

CheS-Mapper has been updated to version 2.4.

New Features Add Moss as new structural fragment mining algorithm Show the number of distinct 3D positions (at the top right, alongside other dataset info) Mapping warnings are now acessible within the viewer (Menu: Help > Show mapping warnings) Add hint for multiselection of compounds via 'control'-key (is shown when zooming into compounds for the first 3 times) More Changes The viewer no longer zooms out when changing component size or spread Add log conversion of feature values, by adding a new feature, instead of log-highlighting (gives better overview of log-distributed values, e.g. within the chart) Multiple selected compounds are now highlighted within the chart for nominal features (was only possible for numerical features) Fix Fix error that showed strucutural fragment values as '1'/'0' instead of 'match'/'no-match'

CheS-Mapper (Chemical Space Mapper) is a open source 3D-viewer for chemical datasets of small molecules, a publication in the Journal of Chemiformatics describes an early version of the application DOI: 10.1186/1758-2946-4-7, and there is a review here.

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